| CAS Number | 10413-86-2 |
| Catalog Number | AG01FEZA(AGN-PC-3H4A3L) |
| Chemical Name | Ethyl 2,3,4-trimethoxybenzoate |
| IUPAC Name | ethyl 2,3,4-trimethoxybenzoate |
| InChI | InChI=1S/C12H16O5/c1-5-17-12(13)8-6-7-9(14-2)11(16-4)10(8)15-3/h6-7H,5H2,1-4H3 |
| InChI Key | QTUNGESOZAVCDR-UHFFFAOYSA-N |
| MDL Number | MFCD06204287 |
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.2524 |
| SMILES | COC1=C(C(=O)OCC)C=CC(=C1OC)OC |
| Synonyms | ethyl 2,3,4-trimethoxybenzoate,
10413-86-2,
SCHEMBL6613660,
QTUNGESOZAVCDR-UHFFFAOYSA-N,
ZINC35179191,
AKOS008947762,
SC-57139,
2,3,4-TRIMETHOXYBENZOIC ACID ETHYL ESTER,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.255g/mol |
| Monoisotopic Mass | 240.1g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number